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CAS 100874-09-7 6-bromo-2-ethyl-1H-benzo[de]isoquinoline-1,3(2H)-dione molecular structure lightbox
CAS RN: 100874-09-7

6-bromo-2-ethyl-1H-benzo[de]isoquinoline-1,3(2H)-dione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250818 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-001617
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 100874-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

100874-09-7 / 6-bromo-2-ethylbenzo[de]isoquinoline-1,3-dione

4-bromo-n-ethyl-1,8-naphthalimide | DTXSID101300276 | RefChem:1070424

Standard CAS: 100874-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100874-09-7
Multi CAS
No
Molecular Formula
C14H10BrNO2
Molecular Weight
304.140000
Exact Mass
302.989490
SMILES
CCN1C(=O)C2=C3C(=C(C=C2)Br)C=CC=C3C1=O
InChI
InChI=1S/C14H10BrNO2/c1-2-16-13(17)9-5-3-4-8-11(15)7-6-10(12(8)9)14(16)18/h3-7H,2H2,1H3
InChIKey
WNFHOJUNEAHMPD-UHFFFAOYSA-N
Synonyms
4-bromo-n-ethyl-1,8-naphthalimide DTXSID101300276 RefChem:1070424 DTXCID601730399 6-bromo-2-ethyl-1H-benzo[de]isoquinoline-1,3(2H)-dione

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
72.69
TPSA
37.38

LogP / Solubility

WLOGP
3.22
MLOGP
2.84
XLogP3
3.2
Consensus LogP
3.09
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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